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CART Random Forests as Sequential Allocation over Random Opportunity Sets: A Stochastic-Control Theory of Ensemble Risk

arXiv.org Machine Learning

CART random forests are among the most widely used modern predictive methods, with well-documented empirical success. Yet, at the mechanistic level, the algorithm is often treated as a black box because of its complexity. In this paper, we develop a stochastic-control perspective on feature-subsampled CART random forests, named CART random opportunity-set allocation (CART-ROSA). At each node, the random subset of features is interpreted as a random feasible action set, and the CART split rule as a masked-action allocation policy. This policy induces a controlled stochastic process over informative split-count states, whose terminal law determines both single-tree error and cross-tree interaction terms in the forest mean squared error (MSE). Such representation opens the black box of CART-forests by separating two design levers: the informative-opportunity rate induced by feature subsampling, and the contraction strength from the within-mask split policy. We establish that the CART policy is locally stabilizing: it contracts imbalances in informative split allocations and concentrates terminal tree geometry. At the system level, however, it can be globally suboptimal for the forest objective. Specializing to the linear model, we derive the MSE risk expansion explicitly. Our results show how an operations-research perspective makes tractable a theoretical gap difficult to access from the standard algorithmic description of CART forests.


Multi-Head Attention as Ensemble Nadaraya-Watson Estimation: Variance Reduction, Decorrelation, and Optimal Head Diversity

arXiv.org Machine Learning

We develop a rigorous statistical theory of multi-head attention (MHA) as an ensemble of Nadaraya-Watson (NW) kernel regression estimators. Building on the algebraic identity between single-head softmax attention and the NW estimator, we prove that MHA is a structured ensemble of H NW estimators, each operating in a distinct learned projection subspace of the key space. We derive an explicit Bias-Variance-Covariance decomposition of the MHA mean squared error, showing that variance reduction depends not merely on the number of heads H but fundamentally on the decorrelation of head outputs. Decorrelation is governed by the principal angles between learned projection subspaces: orthogonal projections yield maximum variance reduction; aligned projections yield none. We introduce the Head Diversity Index (HDI), a computable spectral measure of inter-head decorrelation, and prove that MHA mean squared error is monotonically decreasing in HDI. This provides the first rigorous theoretical explanation for the empirically observed specialization of attention heads. Under a fixed total-dimension budget D = H * d_k, we solve the optimal head-dimension allocation problem, deriving the MSE-minimizing pair (H*, d_k*) from data distribution and regression smoothness. The solution yields a new architectural scaling law: the optimal per-head dimension grows logarithmically with training set size, while the optimal number of heads grows nearly linearly with the total budget D. Our framework unifies three strands of prior work: the NW theory of single-head attention, the general weighting theory for ensemble learning, and the decorrelation-variance-reduction isomorphism between biological and computational ensembles. Multi-head attention is the Transformer's instantiation of a universal principle: identical agents plus diversity-enforcing mechanisms yields emergent optimality.


A Rigorous, Tractable Measure of Model Complexity

arXiv.org Machine Learning

One of the most fundamental properties of a machine learning model is its complexity, with applications across topics such as interpretation, generalization, and model selection. Despite its importance, there is no canonical, model-agnostic way to assess a model's complexity. While simple heuristics, such as the number or magnitude of parameters, yield very crude estimates, hyperparameter-based approaches, such as polynomial degree or kernel length scale, do not generalize across model classes. More rigorous methods, including the Vapnik-Chervonenkis dimension (VCD) (Vapnik, 2013), Rademacher complexity (RMC) (Bartlett and Mendelson, 2002), and effective number of parameters (or effective degrees of freedom, ENP) (Efron, 1986), are difficult, or even impossible, to compute in practice, leaving the user to resort to crude bounds and/or approximations. The topic is further complicated by the often overlooked distinction between model and function complexity, where the former sets a ceiling on the latter.


Minimax Rates and Spectral Distillation for Tree Ensembles

arXiv.org Machine Learning

Tree ensembles such as random forests (RFs) and gradient boosting machines (GBMs) are among the most widely used supervised learners, yet their theoretical properties remain incompletely understood. We adopt a spectral perspective on these algorithms, with two main contributions. First, we derive minimax-optimal convergence for RF regression, showing that, under mild regularity conditions on tree growth, the eigenvalue decay of the induced kernel operator governs the statistical rate. Second, we exploit this spectral viewpoint to develop compression schemes for tree ensembles. For RFs, leading eigenfunctions of the kernel operator capture the dominant predictive directions; for GBMs, leading singular vectors of the smoother matrix play an analogous role. Learning nonlinear maps for these spectral representations yields distilled models that are orders of magnitude smaller than the originals while maintaining competitive predictive performance. Our methods compare favorably to state of the art algorithms for forest pruning and rule extraction, with applications to resource constrained computing.




MABSplit: Faster Forest Training Using Multi-Armed Bandits

Neural Information Processing Systems

Random forests are some of the most widely used machine learning models today, especially in domains that necessitate interpretability. We present an algorithm that accelerates the training of random forests and other popular tree-based learning methods. At the core of our algorithm is a novel node-splitting subroutine, dubbed MABSplit, used to efficiently find split points when constructing decision trees. Our algorithm borrows techniques from the multi-armed bandit literature to judiciously determine how to allocate samples and computational power across candidate split points. We provide theoretical guarantees that MABSplit improves the sample complexity of each node split from linear to logarithmic in the number of data points. In some settings, MABSplit leads to 100x faster training (an 99% reduction in training time) without any decrease in generalization performance. We demonstrate similar speedups when MABSplit is used across a variety of forest-based variants, such as Extremely Random Forests and Random Patches. We also show our algorithm can be used in both classification and regression tasks. Finally, we show that MABSplit outperforms existing methods in generalization performance and feature importance calculations under a fixed computational budget.


Fast and Flexible Monotonic Functions with Ensembles of Lattices

Neural Information Processing Systems

For many machine learning problems, there are some inputs that are known to be positively (or negatively) related to the output, and in such cases training the model to respect that monotonic relationship can provide regularization, and makes the model more interpretable. However, flexible monotonic functions are computationally challenging to learn beyond a few features. We break through this barrier by learning ensembles of monotonic calibrated interpolated look-up tables (lattices). A key contribution is an automated algorithm for selecting feature subsets for the ensemble base models. We demonstrate that compared to random forests, these ensembles produce similar or better accuracy, while providing guaranteed monotonicity consistent with prior knowledge, smaller model size and faster evaluation.


Decorrelation, Diversity, and Emergent Intelligence: The Isomorphism Between Social Insect Colonies and Ensemble Machine Learning

arXiv.org Machine Learning

Social insect colonies and ensemble machine learning methods represent two of the most successful examples of decentralized information processing in nature and computation respectively. Here we develop a rigorous mathematical framework demonstrating that ant colony decision-making and random forest learning are isomorphic under a common formalism of \textbf{stochastic ensemble intelligence}. We show that the mechanisms by which genetically identical ants achieve functional differentiation -- through stochastic response to local cues and positive feedback -- map precisely onto the bootstrap aggregation and random feature subsampling that decorrelate decision trees. Using tools from Bayesian inference, multi-armed bandit theory, and statistical learning theory, we prove that both systems implement identical variance reduction strategies through decorrelation of identical units. We derive explicit mappings between ant recruitment rates and tree weightings, pheromone trail reinforcement and out-of-bag error estimation, and quorum sensing and prediction averaging. This isomorphism suggests that collective intelligence, whether biological or artificial, emerges from a universal principle: \textbf{randomized identical agents + diversity-enforcing mechanisms $\rightarrow$ emergent optimality}.